Benzofuroxan (HCID 68075)

이름 및 식별자

우선 이름: Benzofuroxan
IUPAC: 3-oxido-2,1,3-benzoxadiazol-3-ium
현지명: 벤조퓨라잔 1-옥사이드
영어명: Benzofuroxan
분자식: C6H4N2O2
분자량: 136.11

이름 및 동의어

Benzofuroxan480-96-6BenzofuroxaneBenzofurazan 1-oxideBenzofurazan oxide2,1,3-Benzoxadiazole, 1-oxideBenzofurazan N-oxideNSC-1993034FFO6Y520RefChem:565234DTXCID2040600DTXSID5060063

이름 더 보기

벤조퓨라잔1-옥사이드벤조퓨라잔1-옥사이드벤조푸록산KIH-403AKOS 93854enzofurxanBenzofuzanBenzofuroximeBenzofuroxan,99%

207-559-12,1,3-Benzoxadiazole 1-oxide3-oxido-2,1,3-benzoxadiazol-3-ium2,1,3-benzoxadiazol-1-ium-1-olateBenzofurazan, 1-oxideBENZO[C][1,2,5]OXADIAZOLE 1-OXIDEMFCD00005807benzo[c]1,2,5-oxadiazol-1-ol

데이터베이스 식별자

CAS: 480-96-6
PubChem CID: 68075
DTXSID: DTXSID5060063
ChEMBL: CHEMBL2413971
UNII: 34FFO6Y520
EC Number: 207-559-1
Nikkaji: J12.992E

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 51.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 131

물리화학적 성질

녹는점: 66 · 66-69 °C
끓는 점: 250.35 °C · 250.35°C (rough estimate)
밀도: 1.4175 · 1.4175 (rough estimate)
증기압: 5.8 Pa · 5.8Pa at 25℃
굴절률: 1.4738 · 1.4738 (estimate)
저장 조건: 2 · Sealed in dry,2-8°C
용해도: 아세톤(약간 용해됨), 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 4.58 · 4.58±0.46(Predicted)
색상: 노란색
수용성: 메탄올에 용해됩니다. 물에 불용성.
BRN: 125112 · 125112
LogP: 1.43 · 1.43
NIST: 1 · Benzofurazan, 1-oxide(480-96-6)
EPA: 2 · 2,1,3-Benzoxadiazole, 1-oxide (480-96-6)

화학적 성질

mustard colored powder

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 8.5% (4 of 47) of reports.

Warning

H315 (91.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (91.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (87.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 4 of 47 reports by companies.；There are 6 notifications provided by 43 of 47 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory InformationStatus: Active Update: 10-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/22876

Hazard Classes and CategoriesSkin Irrit. 2 (91.5%)；Eye Irrit. 2 (91.5%)；STOT SE 3 (87.2%)

규제 정보

Regulatory InformationStatus: Active Update: 10-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/22876

안전 데이터

tsca: TSCA listed
HS 번호: 29322090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24/25-36-26
기존화학 물질: KE-02694

화학 및 산업

용도 및 제조

General Manufacturing Information2,1,3-Benzoxadiazole, 1-oxide: ACTIVE

응용 분야

용도Benzofuroxan is used as an oxidant for the preparation of 2-arylsubstituted benzimidazoles, quinoxalines and 1,4-bis(alkylamino)-9,10-anthracenediones. It is also sued in the synthesis of 1,2-dinitrosobenzene.